Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'jagtap' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM97464 (US8470800, A | US8609833, 17) Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99192 (US8501708, 12) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99205 (US8501708, 29) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM97465 (US8470800, B | US8609833, 85) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H19ClN6O6/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(28-14)5-27-22(25)26/h6-8,10-11,14,23-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99204 (US8501708, 28) Show SMILES Cc1ccccc1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99197 (US8501708, 17) Show SMILES Cc1ccccc1CO[C@H]1CCCC1Nc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-2-3-6-14(13)10-32-16-8-4-7-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h2-3,5-6,11-12,15-17,19-20,23,29-31H,4,7-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99193 (US8501708, 13) Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99206 (US8501708, 30) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99199 (US8501708, 19) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3ccc(F)cc3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99202 (US8501708, 22) Show SMILES COc1cccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM108258 (US8609833, 91) Show SMILES O[C@@H]1[C@@H](CS([O-])(=O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H21N5O6S/c21-11-9(5-27(23,24)25)26-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H,23,24,25)/p-1/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	4.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99210 (US8501708, 34) Show SMILES Cc1cccc(C)c1CO[C@@H]1CCCC1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H31N5O5/c1-13-5-3-6-14(2)15(13)10-33-17-8-4-7-16(17)28-22-19-23(26-11-25-22)29(12-27-19)24-21(32)20(31)18(9-30)34-24/h3,5-6,11-12,16-18,20-21,24,30-32H,4,7-10H2,1-2H3,(H,25,26,28)/t16?,17-,18-,20-,21-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99209 (US8501708, 33) Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM108256 (CHEMBL2205239 | US8609833, 87) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12N6O6/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(22-10)1-21-16(19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99208 (US8501708, 32) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99207 (US8501708, 31) Show SMILES CC(C)c1ccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19-,21-,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM108257 (US8609833, 88) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11ClN6O6/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(23-9)1-22-17(20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM97467 (US8470800, D | US8609833, 93) Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C14H18N6O7/c21-10-8(4-26-20(23)24)27-14(11(10)22)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-25-3-7/h5-8,10-11,14,21-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99203 (US8501708, 23) Show SMILES Cc1cccc(CO[C@H]2CCCC2Nc2nc(Cl)nc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H28ClN5O5/c1-12-4-2-5-13(8-12)10-33-15-7-3-6-14(15)26-20-17-21(28-23(24)27-20)29(11-25-17)22-19(32)18(31)16(9-30)34-22/h2,4-5,8,11,14-16,18-19,22,30-32H,3,6-7,9-10H2,1H3,(H,26,27,28)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99198 (US8501708, 18) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99200 (US8501708, 20) Show SMILES CC(C)c1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C25H33N5O5/c1-14(2)16-8-6-15(7-9-16)11-34-18-5-3-4-17(18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(33)21(32)19(10-31)35-25/h6-9,12-14,17-19,21-22,25,31-33H,3-5,10-11H2,1-2H3,(H,26,27,29)/t17?,18-,19+,21+,22+,25?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141447 (CHEMBL279391 | N-[6-Cyclopentylamino-9-((2R,3R,4S,...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCc3ccccc3)nc12 Show InChI InChI=1S/C24H30N6O5/c31-12-16-19(33)20(34)23(35-16)30-13-25-18-21(26-15-8-4-5-9-15)28-24(29-22(18)30)27-17(32)11-10-14-6-2-1-3-7-14/h1-3,6-7,13,15-16,19-20,23,31,33-34H,4-5,8-12H2,(H2,26,27,28,29,32)/t16-,19-,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99201 (US8501708, 21) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@@H]3OCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99194 (US8501708, 14 | US8501708, 15) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141452 (3-Cyclopentyl-N-[6-cyclopentylamino-9-((2R,3R,4S,5...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12 Show InChI InChI=1S/C23H34N6O5/c30-11-15-18(32)19(33)22(34-15)29-12-24-17-20(25-14-7-3-4-8-14)27-23(28-21(17)29)26-16(31)10-9-13-5-1-2-6-13/h12-15,18-19,22,30,32-33H,1-11H2,(H2,25,26,27,28,31)/t15-,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM99194 (US8501708, 14 | US8501708, 15) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C23H29N5O5/c29-10-17-19(30)20(31)23(33-17)28-13-26-18-21(24-12-25-22(18)28)27-15-8-4-5-9-16(15)32-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23,29-31H,4-5,8-11H2,(H,24,25,27)/t15?,16?,17-,19-,20-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	53.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141455 (CHEMBL285251 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dih...) Show SMILES Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H20N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,26,28-29H,8H2,(H3,20,22,23,24,27)/b7-6+/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141453 (2-Cyclohexyl-N-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-h...) Show SMILES CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c1-2-21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-11-6-4-3-5-7-11/h10-12,15-16,19,27,29-30H,2-9H2,1H3,(H2,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141453 (2-Cyclohexyl-N-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-h...) Show SMILES CCNc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c1-2-21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-11-6-4-3-5-7-11/h10-12,15-16,19,27,29-30H,2-9H2,1H3,(H2,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM108256 (CHEMBL2205239 | US8609833, 87) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12N6O6/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(22-10)1-21-16(19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141451 (CHEMBL36786 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141449 (CHEMBL36789 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-9-4-2-1-3-5-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	342	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99205 (US8501708, 29) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3cccc(F)c3)ncnc12 |r| Show InChI InChI=1S/C22H26FN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141456 (CHEMBL289982 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dih...) Show SMILES Nc1nc(NC(=O)CCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H22N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,26,28-29H,6-8H2,(H3,20,22,23,24,27)/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	432	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Oryctolagus cuniculus (rabbit))	BDBM99192 (US8501708, 12) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC[C@H]3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14?,15-,16-,18-,19-,22?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM97465 (US8470800, B | US8609833, 85) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H19ClN6O6/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(28-14)5-27-22(25)26/h6-8,10-11,14,23-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	513	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Oryctolagus cuniculus (rabbit))	BDBM99209 (US8501708, 33) Show SMILES COc1cccc(CO[C@@H]2CCCC2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C23H29N5O6/c1-32-14-5-2-4-13(8-14)10-33-16-7-3-6-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)34-23/h2,4-5,8,11-12,15-17,19-20,23,29-31H,3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,16-,17-,19-,20-,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	551	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM97464 (US8470800, A | US8609833, 17) Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	704	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50141450 (CHEMBL36320 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	733	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Oryctolagus cuniculus (rabbit))	BDBM99193 (US8501708, 13) Show SMILES Cc1ccc(CO[C@H]2CCCC2Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C23H29N5O5/c1-13-5-7-14(8-6-13)10-32-16-4-2-3-15(16)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(9-29)33-23/h5-8,11-12,15-17,19-20,23,29-31H,2-4,9-10H2,1H3,(H,24,25,27)/t15?,16-,17+,19+,20+,23?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.				US Patent US8501708 (2013) BindingDB Entry DOI: 10.7270/Q2QN65CZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141455 (CHEMBL285251 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dih...) Show SMILES Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H20N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,26,28-29H,8H2,(H3,20,22,23,24,27)/b7-6+/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM108257 (US8609833, 88) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11ClN6O6/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(23-9)1-22-17(20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Homo sapiens (Human))	BDBM108256 (CHEMBL2205239 | US8609833, 87) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12N6O6/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(22-10)1-21-16(19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	951	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141448 ((2S,3S,4R,5R)-5-[6-Amino-2-(3-cyclopentyl-propiony...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(=O)CCC3CCCC3)nc12 Show InChI InChI=1S/C20H29N7O5/c1-2-22-18(31)15-13(29)14(30)19(32-15)27-9-23-12-16(21)25-20(26-17(12)27)24-11(28)8-7-10-5-3-4-6-10/h9-10,13-15,19,29-30H,2-8H2,1H3,(H,22,31)(H3,21,24,25,26,28)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM108258 (US8609833, 91) Show SMILES O[C@@H]1[C@@H](CS([O-])(=O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H21N5O6S/c21-11-9(5-27(23,24)25)26-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H,23,24,25)/p-1/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation US Patent					Assay Description The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N...				US Patent US8609833 (2013) BindingDB Entry DOI: 10.7270/Q2125R9N
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141451 (CHEMBL36786 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCC2CCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-5-9-3-1-2-4-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141450 (CHEMBL36320 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C20H30N6O5/c21-17-14-18(26(10-22-14)19-16(30)15(29)12(9-27)31-19)25-20(24-17)23-13(28)8-4-7-11-5-2-1-3-6-11/h10-12,15-16,19,27,29-30H,1-9H2,(H3,21,23,24,25,28)/t12-,15-,16-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50141449 (CHEMBL36789 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihy...) Show SMILES Nc1nc(NC(=O)CC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H26N6O5/c19-15-12-16(24(8-20-12)17-14(28)13(27)10(7-25)29-17)23-18(22-15)21-11(26)6-9-4-2-1-3-5-9/h8-10,13-14,17,25,27-28H,1-7H2,(H3,19,21,22,23,26)/t10-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human adenosine A3 receptor in stably transfected HEK cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
					More data for this Ligand-Target Pair

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